Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LJV2M4
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| Ligand Name |
(2S)-2-[[(2S)-2-[[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoyl]amino]propanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-(4-benzoylphenyl)propanoyl]amino]-6-(hex-5-ynoylamino)hexanamide
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| Structure |
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Download2D MOL
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| Formula |
C54H67N7O11
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| Canonical SMILES |
CC(C(=O)NCCOCCOCC(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)C(C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N)O
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| InChI |
1S/C54H67N7O11/c1-3-4-7-19-47(62)57-28-13-12-18-45(51(56)66)61-53(68)46(34-39-20-24-42(25-21-39)49(64)41-16-10-6-11-17-41)60-48(63)36-71-32-31-70-30-29-58-52(67)37(2)59-54(69)50(65)44(55)33-38-22-26-43(27-23-38)72-35-40-14-8-5-9-15-40/h1,5-6,8-11,14-17,20-27,37,44-46,50,65H,4,7,12-13,18-19,28-36,55H2,2H3,(H2,56,66)(H,57,62)(H,58,67)(H,59,69)(H,60,63)(H,61,68)/t37-,44+,45-,46-,50-/m0/s1
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| InChIKey |
LWTJZKFAFDMVBX-ZDKCPEOGSA-N
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| PubChem Compound ID | ||||
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